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Information card for entry 2018146
Preview
| Coordinates | 2018146.cif |
|---|---|
| Structure factors | 2018146.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-poly[[{bis[4-(trimethylammonio)benzenethiolate- κ<i>S</i>]mercury(II)}-μ-1,1'-(ethane-1,2-diyl)bis(1<i>H</i>- benzimidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^] bis(hexafluoridophosphate) 0.25-hydrate |
|---|---|
| Formula | C34 H40.5 F12 Hg N6 O0.25 P2 S2 |
| Calculated formula | C34 H40 F12 Hg N6 O0.25 P2 S2 |
| Title of publication | Mercury(II) thiolate complexes of two flexible benzimidazole-based ligands |
| Authors of publication | Shang, Hai; Zheng, Ai-Xia; Liu, Dong; Ren, Zhi-Gang; Lang, Jian-Ping |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m237 - m240 |
| a | 19.589 ± 0.004 Å |
| b | 12.808 ± 0.003 Å |
| c | 16.207 ± 0.003 Å |
| α | 90° |
| β | 97.14 ± 0.03° |
| γ | 90° |
| Cell volume | 4034.7 ± 1.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1187 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018146.cif 2018146.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2018146.cif 2018146.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018146.cif 2018146.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018146.cif 2018146.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018146.cif 2018146.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2018146.cif 2018146.hkl |
| 22955 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2018146, 2018147 via cif-deposit CGI script. |
2018146.cif |
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Users of the data should acknowledge the original authors of the
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